2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde

C15H14OS — CID 55238574

IUPAC2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde
SMILESCc1ccc(Sc2ccc(C=O)c(C)c2)cc1
InChIInChI=1S/C15H14OS/c1-11-3-6-14(7-4-11)17-15-8-5-13(10-16)12(2)9-15/h3-10H,1-2H3
InChIKeyUHROACAXBMXRCB-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.27
Rot. Bonds3

About 2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde

2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde (PubChem CID 55238574) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde
PubChem CID55238574
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde
SMILESCc1ccc(Sc2ccc(C=O)c(C)c2)cc1
InChIInChI=1S/C15H14OS/c1-11-3-6-14(7-4-11)17-15-8-5-13(10-16)12(2)9-15/h3-10H,1-2H3
InChIKeyUHROACAXBMXRCB-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde?
The IUPAC name of 2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde (CID 55238574) is 2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde is Cc1ccc(Sc2ccc(C=O)c(C)c2)cc1.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde?
The InChIKey is UHROACAXBMXRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-11-3-6-14(7-4-11)17-15-8-5-13(10-16)12(2)9-15/h3-10H,1-2H3.
What are the key properties of 2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde?
2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde has a molecular weight of 242.34 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)sulfanylbenzaldehyde is sourced from PubChem (CID 55238574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).